N,N,N',N'-에틸렌디아민테트라(메틸렌인 산)
Ethylenediaminetetra(methylenephosphonic acid)
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기본 정보
- CAS
1429-50-1- 표준 SMILES
O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O- InChIKey
NFDRPXJGHKJRLJ-UHFFFAOYSA-N- 분자식
- C6H20N2O12P4
- 평균 분자량
- 436.12 g/mol
- 단동위원소 질량
- 435.9966706
개요
Lexidronam is a phosphonate analog of ethylenediaminetetraacetic acid (EDTA), with chelating activity. Lexidronam binds to and associates with hydroxyapatite crystals concentrated in areas of bone turnover. It has been used as a radiopharmaceutical in complexes with radioactive metals to selectively deliver cytotoxic radiation to osteoblastic bone metastases.
이름 및 식별자
- 우선 이름
- Ethylenediaminetetra(methylenephosphonic acid)
- IUPAC
- [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
- 현지명
- N,N,N',N'-에틸렌디아민테트라(메틸렌인 산)
- 영어명
- Ethylenebis(nitrilodimethylene)tetraphosphonic acid
- 분자식
- C6H20N2O12P4
- 분자량
- 436.12
이름 및 동의어
1429-50-1LexidronamEthylenediaminetetra(methylenephosphonic acid)V4CP8RSX7VBRIQUEST 422-25SDTXSID3061689EDTPO(Ethylenedinitrilo)-tetramethylenephosphonic acidEthylenediamine tetra(methylene phosphonic acid)PH540Ethylenediamine tetrakis(methylene phosphonic acid)PH-540
이름 더 보기
N,N,N',N'-에틸렌디아민테트라(메틸렌인산)N,N,N',N'-에틸렌디아민테트라(메틸렌인산)(N,N,N',N'-ETHYLENEDIAMINETETRA(M...edtmpMethylene Phosphonic AcidETHYLENEDIAMINE TETRA(METHYLENEPHOSPHONIC ACID)EDTMPS·Na8sandeqingxiDequest 2041EDTMP, EDTMPAtetrakis(methylene)
Phosphonic acid, (1,2-ethanediylbis(nitrilobis(methylene)))tetrakis-editempaeditempa acid68Ga-EDTMPRefChem:406469DTXCID9034654ethylenediaminetetra(methylenephosphonic)acidN,N,N',N' ethylenediamine tetra(methylenephosphonic acid)
물성
구조 계산 물성보충 중
- XLogP
- -11.2
- 극성 표면적
- 237 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 486
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Phosphate Compounds
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsChelating
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 247 °C · 247 °C
- 끓는 점
- 878.7 · 878.7±75.0 °C(Predicted)
- 밀도
- 1.993 · 1.993±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 알칼리성 용액에 용해됨(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.13 · 0.13±0.10(Predicted)
- 색상
- 하얀색
- 수용성
- 19.6 g/L · 19.6g/L at 20℃
- InChI
- InChI=1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (58.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 327 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
유해성 정보
Regulatory Information
Chemical: Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-
Status: Active Update: 24-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23979
Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Not sensitizing in guinea pigs; No evidence of mutagenicity; Similar phosphonate compounds demonstrate moderate skin and eye irritation and no evidence of teratogenicity; [Reference #1] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Aminotrimethylene phosphonic acid.
Hazard Classes and Categories
Skin Irrit. 2 (58.7%)
Carcinogenicity - Category 1B
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 29212900
- risk_code
- 36/37/38
- hazard_code
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
용도 및 제조
UsesUsed in consumer dishwashing and laundry detergents; [Reference #1]
Use ClassificationCosmetics -> Chelating
General Manufacturing InformationPhosphonic acid, P,P',P'',P'''-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-: ACTIVE
응용 분야
용도Ethylenediaminetetra(methylenephosphonic acid) is a nitrogenous polyphosphonic acid chelator is able to form complexes with various metal ions.
상·하류 제품 정보
상류 원료
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